CID 28445609
PubChem CID
28445609
Structure
Molecular Formula
Status
Non-live
Molecular Weight
236.37 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
butyl-[(1R)-1-(4-propoxyphenyl)ethyl]azanium
InChI=1S/C15H25NO/c1-4-6-11-16-13(3)14-7-9-15(10-8-14)17-12-5-2/h7-10,13,16H,4-6,11-12H2,1-3H3/p+1/t13-/m1/s1
VNKGMTNHUHEENI-CYBMUJFWSA-O
CCCC[NH2+][C@H](C)C1=CC=C(C=C1)OCCC
C15H26NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
236.37 g/mol
Property Name
XLogP3-AA
Property Value
3.8
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
236.201439453 g/mol
Property Name
Monoisotopic Mass
Property Value
236.201439453 g/mol
Property Name
Topological Polar Surface Area
Property Value
25.8 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
176
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS